| SpectraBase Spectrum ID |
HNSuS4ut2PO |
| Name |
Ethyl exo-1-methyl-2-thiabicyclo[3.1.0]hex-3-ene-6-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
184.055800798 u |
| Formula |
C9H12O2S |
| InChI |
InChI=1S/C9H12O2S/c1-3-11-8(10)7-6-4-5-12-9(6,7)2/h4-7H,3H2,1-2H3 |
| InChIKey |
YMPWDKATQQGLPV-UHFFFAOYSA-N |
| Molecular Weight |
184.253 g/mol |
| SMILES |
C12(C(C(=O)OCC)C2C=CS1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941127 |
![Ethyl exo-1-methyl-2-thiabicyclo[3.1.0]hex-3-ene-6-carboxylate](/api/spectrum/HNSuS4ut2PO/structure.png?h=300&w=458 "Ethyl exo-1-methyl-2-thiabicyclo[3.1.0]hex-3-ene-6-carboxylate")
